Geometry & MOs

Info

ID:	191732
PubChem CID:	78182561
Reduced:	ON3C21H23 (1)
Stoich.:	AB3C21D23 (1)
Weight, g/mol:	443.257277
ΔH_f, kcal/mol:	23.86
Dipole, Da:	3.23
IP(EA), eV:	-9.06(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 6a-methyl-3,7-dipyridin-3-yl-4a,5,6,9,9a,9b-hexahydro-1H-cyclopenta[f]quinoline-4-carboxylate

Drug info:

PubChemData

Smile

C1CC2C3C(C(NNC3=O)C4=CC=CC=C4)NC2C5=CC=CC=C5C1

DOS

IR

Vibrations